N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine

C13H21N3S — CID 167048139

IUPACN-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine
SMILESCNCc1nc2c(s1)CC1(CCN(C)CC1)C2
InChIInChI=1S/C13H21N3S/c1-14-9-12-15-10-7-13(8-11(10)17-12)3-5-16(2)6-4-13/h14H,3-9H2,1-2H3
InChIKeyNVNUXOJVQTXXEV-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.67
Rot. Bonds2

About N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine

N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine (PubChem CID 167048139) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine
PubChem CID167048139
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine
SMILESCNCc1nc2c(s1)CC1(CCN(C)CC1)C2
InChIInChI=1S/C13H21N3S/c1-14-9-12-15-10-7-13(8-11(10)17-12)3-5-16(2)6-4-13/h14H,3-9H2,1-2H3
InChIKeyNVNUXOJVQTXXEV-UHFFFAOYSA-N
XLogP1.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
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
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
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757429

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine (CID 167048139) is N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine is CNCc1nc2c(s1)CC1(CCN(C)CC1)C2.
What is the InChIKey of N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine?
The InChIKey is NVNUXOJVQTXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-14-9-12-15-10-7-13(8-11(10)17-12)3-5-16(2)6-4-13/h14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine?
N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine has a molecular weight of 251.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine is sourced from PubChem (CID 167048139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).