N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C19H17N5O2S — CID 55814625

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17N5O2S/c1-11-15(27-19(22-11)16-20-8-3-9-21-16)18(26)24-14-5-2-4-13(10-14)23-17(25)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyJJPOBOTYJMXUQF-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.51
Rot. Bonds5

About N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55814625) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55814625
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17N5O2S/c1-11-15(27-19(22-11)16-20-8-3-9-21-16)18(26)24-14-5-2-4-13(10-14)23-17(25)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyJJPOBOTYJMXUQF-UHFFFAOYSA-N
XLogP3.51
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 166252573
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3,4-dipropoxyphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55811490
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55894701
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55814625) is N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JJPOBOTYJMXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-15(27-19(22-11)16-20-8-3-9-21-16)18(26)24-14-5-2-4-13(10-14)23-17(25)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55814625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).