N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide

C19H20ClN5OS — CID 118204347

IUPACN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1
InChIInChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m1/s1
InChIKeyBTZWZEOPAGNHAS-MRXNPFEDSA-N
MW401.92 g/mol
LogP4.77
Rot. Bonds6

About N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide

N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204347) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
PubChem CID118204347
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1
InChIInChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m1/s1
InChIKeyBTZWZEOPAGNHAS-MRXNPFEDSA-N
XLogP4.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide (CID 118204347) is N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide is Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1.
What is the InChIKey of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BTZWZEOPAGNHAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide?
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).