1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea

C19H17N5OS — CID 139889793

IUPAC1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
SMILESCn1ccc2cc(NC(=O)Nc3cccc(-c4csc(N)n4)c3)ccc21
InChIInChI=1S/C19H17N5OS/c1-24-8-7-13-10-15(5-6-17(13)24)22-19(25)21-14-4-2-3-12(9-14)16-11-26-18(20)23-16/h2-11H,1H3,(H2,20,23)(H2,21,22,25)
InChIKeyVKAHOYKYYMDQPT-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.53
Rot. Bonds3

About 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea

1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea (PubChem CID 139889793) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea.

Molecular Properties

Compound Name1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
PubChem CID139889793
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
SMILESCn1ccc2cc(NC(=O)Nc3cccc(-c4csc(N)n4)c3)ccc21
InChIInChI=1S/C19H17N5OS/c1-24-8-7-13-10-15(5-6-17(13)24)22-19(25)21-14-4-2-3-12(9-14)16-11-26-18(20)23-16/h2-11H,1H3,(H2,20,23)(H2,21,22,25)
InChIKeyVKAHOYKYYMDQPT-UHFFFAOYSA-N
XLogP4.53
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 28865303
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The IUPAC name of 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea (CID 139889793) is 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea.
What is the SMILES notation for 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The canonical SMILES for 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea is Cn1ccc2cc(NC(=O)Nc3cccc(-c4csc(N)n4)c3)ccc21.
What is the InChIKey of 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The InChIKey is VKAHOYKYYMDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-24-8-7-13-10-15(5-6-17(13)24)22-19(25)21-14-4-2-3-12(9-14)16-11-26-18(20)23-16/h2-11H,1H3,(H2,20,23)(H2,21,22,25).
What are the key properties of 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea?
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea has a molecular weight of 363.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea is sourced from PubChem (CID 139889793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).