(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide

C13H19N5OS — CID 164638189

IUPAC(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
SMILESCc1nc(NC(=O)[C@H](C)N(C)c2ccn(C)n2)sc1C
InChIInChI=1S/C13H19N5OS/c1-8-10(3)20-13(14-8)15-12(19)9(2)18(5)11-6-7-17(4)16-11/h6-7,9H,1-5H3,(H,14,15,19)/t9-/m0/s1
InChIKeyKRKWZJCWBXCDDH-VIFPVBQESA-N
MW293.40 g/mol
LogP1.96
Rot. Bonds4

About (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide

(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide (PubChem CID 164638189) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
PubChem CID164638189
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
SMILESCc1nc(NC(=O)[C@H](C)N(C)c2ccn(C)n2)sc1C
InChIInChI=1S/C13H19N5OS/c1-8-10(3)20-13(14-8)15-12(19)9(2)18(5)11-6-7-17(4)16-11/h6-7,9H,1-5H3,(H,14,15,19)/t9-/m0/s1
InChIKeyKRKWZJCWBXCDDH-VIFPVBQESA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The IUPAC name of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide (CID 164638189) is (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The canonical SMILES for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide is Cc1nc(NC(=O)[C@H](C)N(C)c2ccn(C)n2)sc1C.
What is the InChIKey of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The InChIKey is KRKWZJCWBXCDDH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-10(3)20-13(14-8)15-12(19)9(2)18(5)11-6-7-17(4)16-11/h6-7,9H,1-5H3,(H,14,15,19)/t9-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide has a molecular weight of 293.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide is sourced from PubChem (CID 164638189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).