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

C16H17N5OS — CID 87307472

IUPAC1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea
SMILESCc1nc(NC(=O)NC(C)c2ccc[nH]2)sc1-c1ccncc1
InChIInChI=1S/C16H17N5OS/c1-10(13-4-3-7-18-13)19-15(22)21-16-20-11(2)14(23-16)12-5-8-17-9-6-12/h3-10,18H,1-2H3,(H2,19,20,21,22)
InChIKeyQMJSMBCNTNURIJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.72
Rot. Bonds4

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

1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea (PubChem CID 87307472) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea
PubChem CID87307472
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea
SMILESCc1nc(NC(=O)NC(C)c2ccc[nH]2)sc1-c1ccncc1
InChIInChI=1S/C16H17N5OS/c1-10(13-4-3-7-18-13)19-15(22)21-16-20-11(2)14(23-16)12-5-8-17-9-6-12/h3-10,18H,1-2H3,(H2,19,20,21,22)
InChIKeyQMJSMBCNTNURIJ-UHFFFAOYSA-N
XLogP3.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The IUPAC name of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea (CID 87307472) is 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea is Cc1nc(NC(=O)NC(C)c2ccc[nH]2)sc1-c1ccncc1.
What is the InChIKey of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The InChIKey is QMJSMBCNTNURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(13-4-3-7-18-13)19-15(22)21-16-20-11(2)14(23-16)12-5-8-17-9-6-12/h3-10,18H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea has a molecular weight of 327.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[1-(1H-pyrrol-2-yl)ethyl]urea is sourced from PubChem (CID 87307472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).