4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C16H18N6O2S — CID 38153821

IUPAC4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1
InChIInChI=1S/C16H18N6O2S/c1-8-11(9(2)22(3)21-8)5-14(23)20-16-19-13(7-25-16)10-4-12(15(17)24)18-6-10/h4,6-7,18H,5H2,1-3H3,(H2,17,24)(H,19,20,23)
InChIKeyVPIPOLSGKFBDCV-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.77
Rot. Bonds5

About 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 38153821) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID38153821
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1
InChIInChI=1S/C16H18N6O2S/c1-8-11(9(2)22(3)21-8)5-14(23)20-16-19-13(7-25-16)10-4-12(15(17)24)18-6-10/h4,6-7,18H,5H2,1-3H3,(H2,17,24)(H,19,20,23)
InChIKeyVPIPOLSGKFBDCV-UHFFFAOYSA-N
XLogP1.77
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
methyl 4-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 38158942
4-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46531472
4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55530961
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
N-(1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29370688
4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893
4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55527955
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134053369
4-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55528121
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045057
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 38153821) is 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1.
What is the InChIKey of 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VPIPOLSGKFBDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-8-11(9(2)22(3)21-8)5-14(23)20-16-19-13(7-25-16)10-4-12(15(17)24)18-6-10/h4,6-7,18H,5H2,1-3H3,(H2,17,24)(H,19,20,23).
What are the key properties of 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 38153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).