1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea

C15H15N7O2S2 — CID 2401380

IUPAC1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1nc(C)c(NC(=O)Nc2nccs2)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C15H15N7O2S2/c1-8-10(19-12(23)21-14-16-3-5-25-14)7-11(9(2)18-8)20-13(24)22-15-17-4-6-26-15/h3-7H,1-2H3,(H2,16,19,21,23)(H2,17,20,22,24)
InChIKeyYZHPDCQCXCOOQZ-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.90
Rot. Bonds4

About 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea

1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 2401380) has the molecular formula C15H15N7O2S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID2401380
Molecular FormulaC15H15N7O2S2
Molecular Weight389.47 g/mol
Exact Mass389.07
IUPAC Name1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1nc(C)c(NC(=O)Nc2nccs2)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C15H15N7O2S2/c1-8-10(19-12(23)21-14-16-3-5-25-14)7-11(9(2)18-8)20-13(24)22-15-17-4-6-26-15/h3-7H,1-2H3,(H2,16,19,21,23)(H2,17,20,22,24)
InChIKeyYZHPDCQCXCOOQZ-UHFFFAOYSA-N
XLogP3.90
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732966
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733088
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
CID 4904044
1-(4-methyl-2-pentylsulfinylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 174531548
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
5-cyano-6-methyl-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 39088130
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733134
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea (CID 2401380) is 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea is Cc1nc(C)c(NC(=O)Nc2nccs2)cc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is YZHPDCQCXCOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S2/c1-8-10(19-12(23)21-14-16-3-5-25-14)7-11(9(2)18-8)20-13(24)22-15-17-4-6-26-15/h3-7H,1-2H3,(H2,16,19,21,23)(H2,17,20,22,24).
What are the key properties of 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea?
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 389.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 2401380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).