3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

C14H20N6OS — CID 125158590

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1ncnc1[C@H](NC(=O)CCc1csc(N)n1)C1CC1
InChIInChI=1S/C14H20N6OS/c1-2-20-13(16-8-17-20)12(9-3-4-9)19-11(21)6-5-10-7-22-14(15)18-10/h7-9,12H,2-6H2,1H3,(H2,15,18)(H,19,21)/t12-/m1/s1
InChIKeyVAKWMLYHSMUDTP-GFCCVEGCSA-N
MW320.42 g/mol
LogP1.54
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 125158590) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID125158590
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1ncnc1[C@H](NC(=O)CCc1csc(N)n1)C1CC1
InChIInChI=1S/C14H20N6OS/c1-2-20-13(16-8-17-20)12(9-3-4-9)19-11(21)6-5-10-7-22-14(15)18-10/h7-9,12H,2-6H2,1H3,(H2,15,18)(H,19,21)/t12-/m1/s1
InChIKeyVAKWMLYHSMUDTP-GFCCVEGCSA-N
XLogP1.54
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
2-amino-N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 126454113
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118783442
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161407
1-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 97284585
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 125158590) is 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is CCn1ncnc1[C@H](NC(=O)CCc1csc(N)n1)C1CC1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is VAKWMLYHSMUDTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-2-20-13(16-8-17-20)12(9-3-4-9)19-11(21)6-5-10-7-22-14(15)18-10/h7-9,12H,2-6H2,1H3,(H2,15,18)(H,19,21)/t12-/m1/s1.
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 320.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 125158590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).