1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea

C10H16N4OS — CID 110747812

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
SMILESNc1nc(CNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C10H16N4OS/c11-9-13-8(6-16-9)5-12-10(15)14-7-3-1-2-4-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14,15)
InChIKeyNDGWMNRUPSIDAV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.47
Rot. Bonds3

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea

1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea (PubChem CID 110747812) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
PubChem CID110747812
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
SMILESNc1nc(CNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C10H16N4OS/c11-9-13-8(6-16-9)5-12-10(15)14-7-3-1-2-4-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14,15)
InChIKeyNDGWMNRUPSIDAV-UHFFFAOYSA-N
XLogP1.47
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
1-cyclopentyl-3-[(2-methyl-1,3-oxazol-4-yl)methyl]urea
CID 110747533
2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(thian-3-yl)urea
CID 71978881
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106361462

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea (CID 110747812) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea is Nc1nc(CNC(=O)NC2CCCC2)cs1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea?
The InChIKey is NDGWMNRUPSIDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-9-13-8(6-16-9)5-12-10(15)14-7-3-1-2-4-7/h6-7H,1-5H2,(H2,11,13)(H2,12,14,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea?
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea has a molecular weight of 240.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea is sourced from PubChem (CID 110747812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).