1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea

C12H16N6OS — CID 129005521

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCc1nnc(NC(=O)NCC2CCn3ccnc3C2)s1
InChIInChI=1S/C12H16N6OS/c1-8-16-17-12(20-8)15-11(19)14-7-9-2-4-18-5-3-13-10(18)6-9/h3,5,9H,2,4,6-7H2,1H3,(H2,14,15,17,19)
InChIKeyVDGGEPVAIVVCBN-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.43
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (PubChem CID 129005521) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
PubChem CID129005521
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCc1nnc(NC(=O)NCC2CCn3ccnc3C2)s1
InChIInChI=1S/C12H16N6OS/c1-8-16-17-12(20-8)15-11(19)14-7-9-2-4-18-5-3-13-10(18)6-9/h3,5,9H,2,4,6-7H2,1H3,(H2,14,15,17,19)
InChIKeyVDGGEPVAIVVCBN-UHFFFAOYSA-N
XLogP1.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3-thiophen-3-ylurea
CID 129329341
1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129333293
1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
CID 128994825
1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
CID 154794651
1-(1,2-oxazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
CID 129006006
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1,3-oxazole-4-carboxamide
CID 129340499
2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-imidazole-5-carboxamide
CID 129334440
2,5-dimethyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazole-3-carboxamide
CID 129331405
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyrazole-3-carboxamide
CID 129006386
1-(2-cyano-2-methylpropyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129328972
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
CID 128966217
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104963974

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (CID 129005521) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is Cc1nnc(NC(=O)NCC2CCn3ccnc3C2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The InChIKey is VDGGEPVAIVVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-8-16-17-12(20-8)15-11(19)14-7-9-2-4-18-5-3-13-10(18)6-9/h3,5,9H,2,4,6-7H2,1H3,(H2,14,15,17,19).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea has a molecular weight of 292.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is sourced from PubChem (CID 129005521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).