1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

C15H17N5OS2 — CID 71985729

IUPAC1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESCc1cnc(C(NC(=O)NCc2cn3ccsc3n2)C2CC2)s1
InChIInChI=1S/C15H17N5OS2/c1-9-6-16-13(23-9)12(10-2-3-10)19-14(21)17-7-11-8-20-4-5-22-15(20)18-11/h4-6,8,10,12H,2-3,7H2,1H3,(H2,17,19,21)
InChIKeySPIXUWBUDCLUQT-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.11
Rot. Bonds5

About 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (PubChem CID 71985729) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
PubChem CID71985729
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESCc1cnc(C(NC(=O)NCc2cn3ccsc3n2)C2CC2)s1
InChIInChI=1S/C15H17N5OS2/c1-9-6-16-13(23-9)12(10-2-3-10)19-14(21)17-7-11-8-20-4-5-22-15(20)18-11/h4-6,8,10,12H,2-3,7H2,1H3,(H2,17,19,21)
InChIKeySPIXUWBUDCLUQT-UHFFFAOYSA-N
XLogP3.11
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97099606
1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 124852088
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 97072647
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(2R)-4-methoxy-4-methylpentan-2-yl]urea
CID 96520050
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)-N-phenylpropanamide
CID 166203175
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801109

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (CID 71985729) is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.
What is the SMILES notation for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The canonical SMILES for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is Cc1cnc(C(NC(=O)NCc2cn3ccsc3n2)C2CC2)s1.
What is the InChIKey of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The InChIKey is SPIXUWBUDCLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-9-6-16-13(23-9)12(10-2-3-10)19-14(21)17-7-11-8-20-4-5-22-15(20)18-11/h4-6,8,10,12H,2-3,7H2,1H3,(H2,17,19,21).
What are the key properties of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea has a molecular weight of 347.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is sourced from PubChem (CID 71985729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).