N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C16H17N5OS — CID 44544689

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)s2)nn1C
InChIInChI=1S/C16H17N5OS/c1-11-7-13(19-21(11)3)10-20(2)16(22)14-9-18-15(23-14)12-5-4-6-17-8-12/h4-9H,10H2,1-3H3
InChIKeyOEGMEFCCNUOFST-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.52
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 44544689) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID44544689
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)s2)nn1C
InChIInChI=1S/C16H17N5OS/c1-11-7-13(19-21(11)3)10-20(2)16(22)14-9-18-15(23-14)12-5-4-6-17-8-12/h4-9H,10H2,1-3H3
InChIKeyOEGMEFCCNUOFST-UHFFFAOYSA-N
XLogP2.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 44544689) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1cc(CN(C)C(=O)c2cnc(-c3cccnc3)s2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OEGMEFCCNUOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-7-13(19-21(11)3)10-20(2)16(22)14-9-18-15(23-14)12-5-4-6-17-8-12/h4-9H,10H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44544689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).