3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide

C20H23FN6O2S — CID 146088648

IUPAC3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCc2cn3ccsc3n2)C1)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN6O2S/c21-15-4-1-5-16(9-15)24-18(28)22-10-14-3-2-6-26(12-14)19(29)23-11-17-13-27-7-8-30-20(27)25-17/h1,4-5,7-9,13-14H,2-3,6,10-12H2,(H,23,29)(H2,22,24,28)
InChIKeyNDSQMCJWNNFSDD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.28
Rot. Bonds5

About 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide

3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide (PubChem CID 146088648) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide
PubChem CID146088648
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC Name3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCN(C(=O)NCc2cn3ccsc3n2)C1)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN6O2S/c21-15-4-1-5-16(9-15)24-18(28)22-10-14-3-2-6-26(12-14)19(29)23-11-17-13-27-7-8-30-20(27)25-17/h1,4-5,7-9,13-14H,2-3,6,10-12H2,(H,23,29)(H2,22,24,28)
InChIKeyNDSQMCJWNNFSDD-UHFFFAOYSA-N
XLogP3.28
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-(3-fluorophenyl)-3-[[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]urea
CID 56502656
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxamide
CID 166207325
3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]piperidine-1-carboxamide
CID 155962923
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-(3-fluorophenyl)-3-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]methyl]urea
CID 56503800
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56511706
1-[[1-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56509303
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-(3-fluorophenyl)-3-[[1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-3-yl]methyl]urea
CID 56503164

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide (CID 146088648) is 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide is O=C(NCC1CCCN(C(=O)NCc2cn3ccsc3n2)C1)Nc1cccc(F)c1.
What is the InChIKey of 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NDSQMCJWNNFSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c21-15-4-1-5-16(9-15)24-18(28)22-10-14-3-2-6-26(12-14)19(29)23-11-17-13-27-7-8-30-20(27)25-17/h1,4-5,7-9,13-14H,2-3,6,10-12H2,(H,23,29)(H2,22,24,28).
What are the key properties of 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide?
3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluorophenyl)carbamoylamino]methyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 146088648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).