N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C15H19N5OS — CID 10852973

IUPACN-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)c2)cs1
InChIInChI=1S/C15H19N5OS/c1-3-17-14(16)20-15-19-13(9-22-15)12-6-4-5-11(7-12)8-18-10(2)21/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H3,16,17,19,20)
InChIKeyAFFLTLMYNTVPHJ-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.19
Rot. Bonds5

About N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 10852973) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID10852973
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)c2)cs1
InChIInChI=1S/C15H19N5OS/c1-3-17-14(16)20-15-19-13(9-22-15)12-6-4-5-11(7-12)8-18-10(2)21/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H3,16,17,19,20)
InChIKeyAFFLTLMYNTVPHJ-UHFFFAOYSA-N
XLogP2.19
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
H3B-120
CID 132355378
TJ-M2010-5
CID 71542350
4-m-Tolyl-thiazol-2-ylamine
CID 220170
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Cinnamamido-4-phenylthiazole
CID 690181
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
(R,S)-4-methyl-2-[3''-(2-piperazin-1-yl-thiazol-4-yl)-biphenyl-3-yl]-pentanoic acid cyanomethyl-amide
CID 9891030

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 10852973) is N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is CC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)c2)cs1.
What is the InChIKey of N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is AFFLTLMYNTVPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-17-14(16)20-15-19-13(9-22-15)12-6-4-5-11(7-12)8-18-10(2)21/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H3,16,17,19,20).
What are the key properties of N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).