1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea

C14H17N3OS2 — CID 136540282

IUPAC1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2nc(C3CCC3)cs2)s1
InChIInChI=1S/C14H17N3OS2/c1-9-5-6-11(20-9)7-15-13(18)17-14-16-12(8-19-14)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H2,15,16,17,18)
InChIKeyXNZXNUNOVPMPIT-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea

1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 136540282) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID136540282
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2nc(C3CCC3)cs2)s1
InChIInChI=1S/C14H17N3OS2/c1-9-5-6-11(20-9)7-15-13(18)17-14-16-12(8-19-14)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H2,15,16,17,18)
InChIKeyXNZXNUNOVPMPIT-UHFFFAOYSA-N
XLogP4.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea with MolForge

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Related Compounds

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea
CID 166209124
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851054
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 112825265
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 122246912
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817694
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248492
(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 87095417

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea (CID 136540282) is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)Nc2nc(C3CCC3)cs2)s1.
What is the InChIKey of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is XNZXNUNOVPMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-5-6-11(20-9)7-15-13(18)17-14-16-12(8-19-14)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea?
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 307.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 136540282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).