N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide

C18H17N5O2S — CID 87408321

IUPACN-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N5O2S/c1-12(24)21-15-4-2-3-13(9-15)10-20-17(25)23-18-22-16(11-26-18)14-5-7-19-8-6-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeySEBIPHAOUSNXEJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.49
Rot. Bonds5

About N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide

N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide (PubChem CID 87408321) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide
PubChem CID87408321
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N5O2S/c1-12(24)21-15-4-2-3-13(9-15)10-20-17(25)23-18-22-16(11-26-18)14-5-7-19-8-6-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeySEBIPHAOUSNXEJ-UHFFFAOYSA-N
XLogP3.49
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide (CID 87408321) is N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide?
The InChIKey is SEBIPHAOUSNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12(24)21-15-4-2-3-13(9-15)10-20-17(25)23-18-22-16(11-26-18)14-5-7-19-8-6-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide?
N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 87408321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).