N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine

C12H19N3S — CID 167048209

IUPACN-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine
SMILESCNCc1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C12H19N3S/c1-13-8-11-15-9-6-12(7-10(9)16-11)2-4-14-5-3-12/h13-14H,2-8H2,1H3
InChIKeyGZDNSKSRXDLNHM-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.33
Rot. Bonds2

About N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine

N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine (PubChem CID 167048209) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine
PubChem CID167048209
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine
SMILESCNCc1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C12H19N3S/c1-13-8-11-15-9-6-12(7-10(9)16-11)2-4-14-5-3-12/h13-14H,2-8H2,1H3
InChIKeyGZDNSKSRXDLNHM-UHFFFAOYSA-N
XLogP1.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dihydro-2-(3-piperidinyl)-4H-cyclopentathiazole
CID 24261809
4-(4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)piperidine
CID 24261830
4-((4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)methyl)piperidine
CID 24262114
4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidine hydrochloride
CID 177800580
1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048093
(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167048104
tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 175736624
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755102

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine?
The IUPAC name of N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine (CID 167048209) is N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine?
The canonical SMILES for N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine is CNCc1nc2c(s1)CC1(CCNCC1)C2.
What is the InChIKey of N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine?
The InChIKey is GZDNSKSRXDLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-8-11-15-9-6-12(7-10(9)16-11)2-4-14-5-3-12/h13-14H,2-8H2,1H3.
What are the key properties of N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine?
N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine has a molecular weight of 237.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine is sourced from PubChem (CID 167048209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).