(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

C13H22N4S — CID 167048054

IUPAC(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCN(C)Cc1nc2c(s1)CC1(CCNCC1)[C@@H]2N
InChIInChI=1S/C13H22N4S/c1-17(2)8-10-16-11-9(18-10)7-13(12(11)14)3-5-15-6-4-13/h12,15H,3-8,14H2,1-2H3/t12-/m1/s1
InChIKeyVKPZWMDFWBCZQC-GFCCVEGCSA-N
MW266.41 g/mol
LogP1.13
Rot. Bonds2

About (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (PubChem CID 167048054) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
PubChem CID167048054
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCN(C)Cc1nc2c(s1)CC1(CCNCC1)[C@@H]2N
InChIInChI=1S/C13H22N4S/c1-17(2)8-10-16-11-9(18-10)7-13(12(11)14)3-5-15-6-4-13/h12,15H,3-8,14H2,1-2H3/t12-/m1/s1
InChIKeyVKPZWMDFWBCZQC-GFCCVEGCSA-N
XLogP1.13
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
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-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 91472438
(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477444
(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477616
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146477722
(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146510516
(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146510875
Spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 150722332

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The IUPAC name of (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (CID 167048054) is (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is CN(C)Cc1nc2c(s1)CC1(CCNCC1)[C@@H]2N.
What is the InChIKey of (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The InChIKey is VKPZWMDFWBCZQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4S/c1-17(2)8-10-16-11-9(18-10)7-13(12(11)14)3-5-15-6-4-13/h12,15H,3-8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine has a molecular weight of 266.41 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 167048054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).