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

C14H17N5OS2 — CID 71981476

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)NCc2cn3ccsc3n2)s1
InChIInChI=1S/C14H17N5OS2/c1-3-11-7-15-12(22-11)9-18(2)13(20)16-6-10-8-19-4-5-21-14(19)17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20)
InChIKeyTYGPKNPBRTVIFQ-UHFFFAOYSA-N
MW335.46 g/mol
LogP2.76
Rot. Bonds5

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

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea (PubChem CID 71981476) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea
PubChem CID71981476
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea
SMILESCCc1cnc(CN(C)C(=O)NCc2cn3ccsc3n2)s1
InChIInChI=1S/C14H17N5OS2/c1-3-11-7-15-12(22-11)9-18(2)13(20)16-6-10-8-19-4-5-21-14(19)17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20)
InChIKeyTYGPKNPBRTVIFQ-UHFFFAOYSA-N
XLogP2.76
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111531472
4-[[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020351
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)-1-methylurea
CID 111619012
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78851235
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 106371046
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea (CID 71981476) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea is CCc1cnc(CN(C)C(=O)NCc2cn3ccsc3n2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea?
The InChIKey is TYGPKNPBRTVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-3-11-7-15-12(22-11)9-18(2)13(20)16-6-10-8-19-4-5-21-14(19)17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,20).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea has a molecular weight of 335.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea is sourced from PubChem (CID 71981476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).