5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide

C22H27N7OS — CID 123335524

IUPAC5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(CNc2nc(CN3CCNCC3)cs2)c2ccccc2)cn1
InChIInChI=1S/C22H27N7OS/c1-16-11-25-20(13-24-16)21(30)28-19(17-5-3-2-4-6-17)12-26-22-27-18(15-31-22)14-29-9-7-23-8-10-29/h2-6,11,13,15,19,23H,7-10,12,14H2,1H3,(H,26,27)(H,28,30)
InChIKeyYYVDTLIQKWVHSD-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.23
Rot. Bonds8

About 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide

5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 123335524) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID123335524
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC Name5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(CNc2nc(CN3CCNCC3)cs2)c2ccccc2)cn1
InChIInChI=1S/C22H27N7OS/c1-16-11-25-20(13-24-16)21(30)28-19(17-5-3-2-4-6-17)12-26-22-27-18(15-31-22)14-29-9-7-23-8-10-29/h2-6,11,13,15,19,23H,7-10,12,14H2,1H3,(H,26,27)(H,28,30)
InChIKeyYYVDTLIQKWVHSD-UHFFFAOYSA-N
XLogP2.23
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide (CID 123335524) is 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC(CNc2nc(CN3CCNCC3)cs2)c2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is YYVDTLIQKWVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-16-11-25-20(13-24-16)21(30)28-19(17-5-3-2-4-6-17)12-26-22-27-18(15-31-22)14-29-9-7-23-8-10-29/h2-6,11,13,15,19,23H,7-10,12,14H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide?
5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 123335524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).