(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone

C17H29N5OS — CID 56760017

IUPAC(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
SMILESCCc1nc(N)sc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C17H29N5OS/c1-4-13-14(24-16(18)19-13)15(23)22-9-5-8-21(3)17(12-22)6-10-20(2)11-7-17/h4-12H2,1-3H3,(H2,18,19)
InChIKeyOTYBCOKXNOTBMK-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.53
Rot. Bonds2

About (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone

(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone (PubChem CID 56760017) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
PubChem CID56760017
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
SMILESCCc1nc(N)sc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C17H29N5OS/c1-4-13-14(24-16(18)19-13)15(23)22-9-5-8-21(3)17(12-22)6-10-20(2)11-7-17/h4-12H2,1-3H3,(H2,18,19)
InChIKeyOTYBCOKXNOTBMK-UHFFFAOYSA-N
XLogP1.53
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 56750719
(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97189914
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 171703961
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 56742211
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72886103
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56753419

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone (CID 56760017) is (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone.
What is the SMILES notation for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The canonical SMILES for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone is CCc1nc(N)sc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The InChIKey is OTYBCOKXNOTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-4-13-14(24-16(18)19-13)15(23)22-9-5-8-21(3)17(12-22)6-10-20(2)11-7-17/h4-12H2,1-3H3,(H2,18,19).
What are the key properties of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone has a molecular weight of 351.52 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone is sourced from PubChem (CID 56760017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).