N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H21N5OS — CID 95979431

IUPACN-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@H](C)[C@H](C)n2cc(C)cn2)cs1
InChIInChI=1S/C14H21N5OS/c1-9-5-16-19(7-9)11(3)10(2)15-6-13-8-21-14(18-13)17-12(4)20/h5,7-8,10-11,15H,6H2,1-4H3,(H,17,18,20)/t10-,11+/m1/s1
InChIKeyZWDXMZJETYEUTL-MNOVXSKESA-N
MW307.42 g/mol
LogP2.35
Rot. Bonds6

About N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95979431) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95979431
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@H](C)[C@H](C)n2cc(C)cn2)cs1
InChIInChI=1S/C14H21N5OS/c1-9-5-16-19(7-9)11(3)10(2)15-6-13-8-21-14(18-13)17-12(4)20/h5,7-8,10-11,15H,6H2,1-4H3,(H,17,18,20)/t10-,11+/m1/s1
InChIKeyZWDXMZJETYEUTL-MNOVXSKESA-N
XLogP2.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95759701
ethyl 2-[2-[2-(4-methylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19534411
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95614058
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659
(2S,3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277581
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291817
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95288528
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 95285990

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 95979431) is N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN[C@H](C)[C@H](C)n2cc(C)cn2)cs1.
What is the InChIKey of N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZWDXMZJETYEUTL-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9-5-16-19(7-9)11(3)10(2)15-6-13-8-21-14(18-13)17-12(4)20/h5,7-8,10-11,15H,6H2,1-4H3,(H,17,18,20)/t10-,11+/m1/s1.
What are the key properties of N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95979431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).