1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C15H16N8OS — CID 126780318

IUPAC1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCC(NC(=O)Nc1nc(-c2cccnc2)cs1)c1nnnn1C1CC1
InChIInChI=1S/C15H16N8OS/c1-9(13-20-21-22-23(13)11-4-5-11)17-14(24)19-15-18-12(8-25-15)10-3-2-6-16-7-10/h2-3,6-9,11H,4-5H2,1H3,(H2,17,18,19,24)
InChIKeyYBBXYHSFOONESU-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.41
Rot. Bonds5

About 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 126780318) has the molecular formula C15H16N8OS and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID126780318
Molecular FormulaC15H16N8OS
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCC(NC(=O)Nc1nc(-c2cccnc2)cs1)c1nnnn1C1CC1
InChIInChI=1S/C15H16N8OS/c1-9(13-20-21-22-23(13)11-4-5-11)17-14(24)19-15-18-12(8-25-15)10-3-2-6-16-7-10/h2-3,6-9,11H,4-5H2,1H3,(H2,17,18,19,24)
InChIKeyYBBXYHSFOONESU-UHFFFAOYSA-N
XLogP2.41
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

1-[cyclopropyl-(4-methylphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875119
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 95784228
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 111859078
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 46642116
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 9465670
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 126780318) is 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is CC(NC(=O)Nc1nc(-c2cccnc2)cs1)c1nnnn1C1CC1.
What is the InChIKey of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is YBBXYHSFOONESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8OS/c1-9(13-20-21-22-23(13)11-4-5-11)17-14(24)19-15-18-12(8-25-15)10-3-2-6-16-7-10/h2-3,6-9,11H,4-5H2,1H3,(H2,17,18,19,24).
What are the key properties of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 356.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 126780318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).