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

C14H16F3N5OS — CID 129340101

IUPAC1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESO=C(NCc1cscn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N5OS/c15-14(16,17)11-6-22-5-9(1-2-12(22)21-11)3-18-13(23)19-4-10-7-24-8-20-10/h6-9H,1-5H2,(H2,18,19,23)/t9-/m0/s1
InChIKeyWWLMOZBLOJZOPP-VIFPVBQESA-N
MW359.38 g/mol
LogP2.42
Rot. Bonds4

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

1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129340101) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129340101
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESO=C(NCc1cscn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N5OS/c15-14(16,17)11-6-22-5-9(1-2-12(22)21-11)3-18-13(23)19-4-10-7-24-8-20-10/h6-9H,1-5H2,(H2,18,19,23)/t9-/m0/s1
InChIKeyWWLMOZBLOJZOPP-VIFPVBQESA-N
XLogP2.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-4-ylmethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340100
4-[[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122020711
1-pyridin-2-yl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129005982
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129004435
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339762
1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
1-pyridin-2-yl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330660
2-(1-methylpyrazol-4-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 124737660
1-(2-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129327730
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
1-(1-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129333227
2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
CID 129329094

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129340101) is 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is O=C(NCc1cscn1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is WWLMOZBLOJZOPP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N5OS/c15-14(16,17)11-6-22-5-9(1-2-12(22)21-11)3-18-13(23)19-4-10-7-24-8-20-10/h6-9H,1-5H2,(H2,18,19,23)/t9-/m0/s1.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 359.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).