(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H21N5OS — CID 125173086

IUPAC(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)c1csc(CCNC(=O)[C@@H](C)Cn2cncn2)n1
InChIInChI=1S/C14H21N5OS/c1-10(2)12-7-21-13(18-12)4-5-16-14(20)11(3)6-19-9-15-8-17-19/h7-11H,4-6H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyZSAMOAVSAIHURJ-NSHDSACASA-N
MW307.42 g/mol
LogP1.85
Rot. Bonds7

About (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 125173086) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID125173086
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)c1csc(CCNC(=O)[C@@H](C)Cn2cncn2)n1
InChIInChI=1S/C14H21N5OS/c1-10(2)12-7-21-13(18-12)4-5-16-14(20)11(3)6-19-9-15-8-17-19/h7-11H,4-6H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyZSAMOAVSAIHURJ-NSHDSACASA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124756628
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
(2R)-2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125166639
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125446584
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649255
(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124750666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 125173086) is (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(C)c1csc(CCNC(=O)[C@@H](C)Cn2cncn2)n1.
What is the InChIKey of (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ZSAMOAVSAIHURJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10(2)12-7-21-13(18-12)4-5-16-14(20)11(3)6-19-9-15-8-17-19/h7-11H,4-6H2,1-3H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 125173086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).