(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

C13H16N6OS — CID 95896211

IUPAC(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESNc1nc2c(s1)CN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2
InChIInChI=1S/C13H16N6OS/c14-13-18-7-2-4-19(5-9(7)21-13)12(20)11-10-8(1-3-15-11)16-6-17-10/h6,11,15H,1-5H2,(H2,14,18)(H,16,17)/t11-/m0/s1
InChIKeyYEJYFCBSMBWCIE-NSHDSACASA-N
MW304.38 g/mol
LogP0.22
Rot. Bonds1

About (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone

(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (PubChem CID 95896211) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
PubChem CID95896211
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESNc1nc2c(s1)CN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2
InChIInChI=1S/C13H16N6OS/c14-13-18-7-2-4-19(5-9(7)21-13)12(20)11-10-8(1-3-15-11)16-6-17-10/h6,11,15H,1-5H2,(H2,14,18)(H,16,17)/t11-/m0/s1
InChIKeyYEJYFCBSMBWCIE-NSHDSACASA-N
XLogP0.22
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone with MolForge

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Related Compounds

4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 70766706
1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896875
[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
CID 154894348
(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95893846
2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 95872297
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70781629
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97134571
(3-pyridin-3-yloxyazetidin-1-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95881021
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
CID 70751373
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
CID 28505312
(5R)-5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-1-cyclopentylpiperidin-2-one
CID 97152843

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone (CID 95896211) is (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is Nc1nc2c(s1)CN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
The InChIKey is YEJYFCBSMBWCIE-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6OS/c14-13-18-7-2-4-19(5-9(7)21-13)12(20)11-10-8(1-3-15-11)16-6-17-10/h6,11,15H,1-5H2,(H2,14,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone?
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone has a molecular weight of 304.38 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone is sourced from PubChem (CID 95896211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).