3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide

C14H17N5O3S — CID 86689230

IUPAC3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCO
InChIInChI=1S/C14H17N5O3S/c15-9-4-2-8(3-5-9)11-10(12(16)21)13(23-19-11)18-14(22)17-6-1-7-20/h2-5,20H,1,6-7,15H2,(H2,16,21)(H2,17,18,22)
InChIKeyTYQHNWWGKHTCBA-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.00
Rot. Bonds6

About 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 86689230) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID86689230
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCO
InChIInChI=1S/C14H17N5O3S/c15-9-4-2-8(3-5-9)11-10(12(16)21)13(23-19-11)18-14(22)17-6-1-7-20/h2-5,20H,1,6-7,15H2,(H2,16,21)(H2,17,18,22)
InChIKeyTYQHNWWGKHTCBA-UHFFFAOYSA-N
XLogP1.00
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[4-carbamoyl-3-(4-nitrophenyl)-1,2-thiazol-5-yl]carbamoylamino]propyl acetate
CID 71621784
4-[[4-carbamoyl-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazol-3-yl]-sulfanylmethyl]benzoic acid
CID 18550381
3-[(2,5-dichlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54422898
3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-(5-hydroxypentylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 69228022
3-[[4-carbamoyl-3-[2-methyl-4-(phenylcarbamoylamino)phenyl]-1,2-thiazol-5-yl]carbamoylamino]propanoic acid
CID 71621150
3-benzylsulfanyl-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54309791
5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2,3-dichloro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 68509601
5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 66679258
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
3-[[4-carbamoyl-3-[7-methyl-5-[(4-methylphenyl)carbamoylamino]cyclohepta-1,6-dien-1-yl]-1,2-thiazol-5-yl]carbamoylamino]propanoic acid
CID 155238526
5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 54347579

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 86689230) is 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide is NC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCO.
What is the InChIKey of 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is TYQHNWWGKHTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c15-9-4-2-8(3-5-9)11-10(12(16)21)13(23-19-11)18-14(22)17-6-1-7-20/h2-5,20H,1,6-7,15H2,(H2,16,21)(H2,17,18,22).
What are the key properties of 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86689230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).