1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea

C15H26N4OS — CID 142671530

IUPAC1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)CC(CNC(=O)Nc1nccs1)NC1CCCC1
InChIInChI=1S/C15H26N4OS/c1-11(2)9-13(18-12-5-3-4-6-12)10-17-14(20)19-15-16-7-8-21-15/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyLCSRQYBTTCRGFU-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.21
Rot. Bonds7

About 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 142671530) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID142671530
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)CC(CNC(=O)Nc1nccs1)NC1CCCC1
InChIInChI=1S/C15H26N4OS/c1-11(2)9-13(18-12-5-3-4-6-12)10-17-14(20)19-15-16-7-8-21-15/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyLCSRQYBTTCRGFU-UHFFFAOYSA-N
XLogP3.21
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
1-[(2S)-2-pyrrolidin-1-ylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 95131197
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
CID 124727220
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 55536177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea (CID 142671530) is 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea is CC(C)CC(CNC(=O)Nc1nccs1)NC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LCSRQYBTTCRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(2)9-13(18-12-5-3-4-6-12)10-17-14(20)19-15-16-7-8-21-15/h7-8,11-13,18H,3-6,9-10H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 310.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 142671530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).