[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C14H18N4OS2 — CID 116667891

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C14H18N4OS2/c1-8(2)16-14-17-12(15)11(21-14)13(19)18-5-3-10-9(7-18)4-6-20-10/h4,6,8H,3,5,7,15H2,1-2H3,(H,16,17)
InChIKeySZMRJRJMLKSSEF-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.81
Rot. Bonds3

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 116667891) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID116667891
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C14H18N4OS2/c1-8(2)16-14-17-12(15)11(21-14)13(19)18-5-3-10-9(7-18)4-6-20-10/h4,6,8H,3,5,7,15H2,1-2H3,(H,16,17)
InChIKeySZMRJRJMLKSSEF-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 116667006
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 116668339
2-(1,3-benzothiazol-2-ylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 24684946
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43159417
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-methoxy-3-methyl-2-pyridinyl)methanone
CID 166385335
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 116667891) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CC(C)Nc1nc(N)c(C(=O)N2CCc3sccc3C2)s1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is SZMRJRJMLKSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-8(2)16-14-17-12(15)11(21-14)13(19)18-5-3-10-9(7-18)4-6-20-10/h4,6,8H,3,5,7,15H2,1-2H3,(H,16,17).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 322.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 116667891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).