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

C14H18N4OS — CID 129477594

IUPAC1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cscc1NC(=O)NC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C14H18N4OS/c1-10-8-20-9-12(10)17-14(19)16-6-11-2-3-13-15-4-5-18(13)7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,16,17,19)/t11-/m0/s1
InChIKeySBTPKUMJFJGUSQ-NSHDSACASA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds3

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

1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129477594) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129477594
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cscc1NC(=O)NC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C14H18N4OS/c1-10-8-20-9-12(10)17-14(19)16-6-11-2-3-13-15-4-5-18(13)7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,16,17,19)/t11-/m0/s1
InChIKeySBTPKUMJFJGUSQ-NSHDSACASA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea with MolForge

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Related Compounds

1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129335279
1-(4-methyl-1,2-oxazol-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129333685
1-(6-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995677
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995675
1-(1,5-dimethylpyrazol-3-yl)-3-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340804
1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
CID 129473644
1-(2-ethoxyethyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995723
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
1-[(1-methoxycyclobutyl)methyl]-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129474764
1-[(1-methoxycyclobutyl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995732
5-ethyl-3-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2-carboxamide
CID 129328694
4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122020581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129477594) is 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1cscc1NC(=O)NC[C@@H]1CCc2nccn2C1.
What is the InChIKey of 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is SBTPKUMJFJGUSQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-8-20-9-12(10)17-14(19)16-6-11-2-3-13-15-4-5-18(13)7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,16,17,19)/t11-/m0/s1.
What are the key properties of 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).