1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide

C24H29N3O2S — CID 171913671

IUPAC1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)c1nc(C(=O)N2CCC3(CCc4ccccc43)CC2)cs1
InChIInChI=1S/C24H29N3O2S/c1-16(25-22(29)23(2)9-10-23)20-26-19(15-30-20)21(28)27-13-11-24(12-14-27)8-7-17-5-3-4-6-18(17)24/h3-6,15-16H,7-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyKFJZCGPMQUXMMM-INIZCTEOSA-N
MW423.58 g/mol
LogP4.24
Rot. Bonds4

About 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide

1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 171913671) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID171913671
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CC1)c1nc(C(=O)N2CCC3(CCc4ccccc43)CC2)cs1
InChIInChI=1S/C24H29N3O2S/c1-16(25-22(29)23(2)9-10-23)20-26-19(15-30-20)21(28)27-13-11-24(12-14-27)8-7-17-5-3-4-6-18(17)24/h3-6,15-16H,7-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyKFJZCGPMQUXMMM-INIZCTEOSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 74237900
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438609
2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 171908261
N-[(1S)-1-[4-(4-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171909493
2-[1-[[1-(aminomethyl)cyclohexanecarbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115437994
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide (CID 171913671) is 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(C)CC1)c1nc(C(=O)N2CCC3(CCc4ccccc43)CC2)cs1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is KFJZCGPMQUXMMM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-16(25-22(29)23(2)9-10-23)20-26-19(15-30-20)21(28)27-13-11-24(12-14-27)8-7-17-5-3-4-6-18(17)24/h3-6,15-16H,7-14H2,1-2H3,(H,25,29)/t16-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide?
1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171913671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).