2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

C15H14N6O2S2 — CID 167961641

IUPAC2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)NCc2nc(-c3ccncc3)cs2)n1
InChIInChI=1S/C15H14N6O2S2/c16-12(22)5-10-7-25-15(19-10)21-14(23)18-6-13-20-11(8-24-13)9-1-3-17-4-2-9/h1-4,7-8H,5-6H2,(H2,16,22)(H2,18,19,21,23)
InChIKeyNEYXCWXJFQTMAP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 167961641) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID167961641
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC Name2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)NCc2nc(-c3ccncc3)cs2)n1
InChIInChI=1S/C15H14N6O2S2/c16-12(22)5-10-7-25-15(19-10)21-14(23)18-6-13-20-11(8-24-13)9-1-3-17-4-2-9/h1-4,7-8H,5-6H2,(H2,16,22)(H2,18,19,21,23)
InChIKeyNEYXCWXJFQTMAP-UHFFFAOYSA-N
XLogP2.01
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 17465456

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 167961641) is 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(NC(=O)NCc2nc(-c3ccncc3)cs2)n1.
What is the InChIKey of 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is NEYXCWXJFQTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c16-12(22)5-10-7-25-15(19-10)21-14(23)18-6-13-20-11(8-24-13)9-1-3-17-4-2-9/h1-4,7-8H,5-6H2,(H2,16,22)(H2,18,19,21,23).
What are the key properties of 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 167961641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).