[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid

C18H17N5O3S — CID 69244644

IUPAC[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid
SMILESCC(NC(=O)c1ccc(-c2ccnc(N)n2)s1)c1cccc(NC(=O)O)c1
InChIInChI=1S/C18H17N5O3S/c1-10(11-3-2-4-12(9-11)22-18(25)26)21-16(24)15-6-5-14(27-15)13-7-8-20-17(19)23-13/h2-10,22H,1H3,(H,21,24)(H,25,26)(H2,19,20,23)
InChIKeyYICTXBJBJARVKF-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.37
Rot. Bonds5

About [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid

[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid (PubChem CID 69244644) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid
PubChem CID69244644
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid
SMILESCC(NC(=O)c1ccc(-c2ccnc(N)n2)s1)c1cccc(NC(=O)O)c1
InChIInChI=1S/C18H17N5O3S/c1-10(11-3-2-4-12(9-11)22-18(25)26)21-16(24)15-6-5-14(27-15)13-7-8-20-17(19)23-13/h2-10,22H,1H3,(H,21,24)(H,25,26)(H2,19,20,23)
InChIKeyYICTXBJBJARVKF-UHFFFAOYSA-N
XLogP3.37
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 59468365
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 59468538
5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11538301
N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 143117498
5-(2-aminopyrimidin-4-yl)-N-[2-(4-chlorophenyl)-4-hydroxybutyl]thiophene-2-carboxamide
CID 59856946
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
5-(2-aminopyrimidin-4-yl)-N-[4-chloro-6-(methylaminomethyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 59856978
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46402331
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862

Frequently Asked Questions

What is the IUPAC name of [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid?
The IUPAC name of [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid (CID 69244644) is [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid?
The canonical SMILES for [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid is CC(NC(=O)c1ccc(-c2ccnc(N)n2)s1)c1cccc(NC(=O)O)c1.
What is the InChIKey of [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid?
The InChIKey is YICTXBJBJARVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10(11-3-2-4-12(9-11)22-18(25)26)21-16(24)15-6-5-14(27-15)13-7-8-20-17(19)23-13/h2-10,22H,1H3,(H,21,24)(H,25,26)(H2,19,20,23).
What are the key properties of [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid?
[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid has a molecular weight of 383.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid is sourced from PubChem (CID 69244644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).