2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

C13H19N5OS — CID 99983093

IUPAC2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N[C@@H](C)Cn2cccn2)s1
InChIInChI=1S/C13H19N5OS/c1-4-14-13-17-10(3)11(20-13)12(19)16-9(2)8-18-7-5-6-15-18/h5-7,9H,4,8H2,1-3H3,(H,14,17)(H,16,19)/t9-/m0/s1
InChIKeyPOGJLMHNEPQNEJ-VIFPVBQESA-N
MW293.40 g/mol
LogP1.90
Rot. Bonds6

About 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 99983093) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID99983093
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N[C@@H](C)Cn2cccn2)s1
InChIInChI=1S/C13H19N5OS/c1-4-14-13-17-10(3)11(20-13)12(19)16-9(2)8-18-7-5-6-15-18/h5-7,9H,4,8H2,1-3H3,(H,14,17)(H,16,19)/t9-/m0/s1
InChIKeyPOGJLMHNEPQNEJ-VIFPVBQESA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 99983093) is 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)N[C@@H](C)Cn2cccn2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is POGJLMHNEPQNEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-14-13-17-10(3)11(20-13)12(19)16-9(2)8-18-7-5-6-15-18/h5-7,9H,4,8H2,1-3H3,(H,14,17)(H,16,19)/t9-/m0/s1.
What are the key properties of 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99983093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).