(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

C15H25N3S — CID 158776895

IUPAC(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCc1nc2c(s1)CC1(CCN(C(C)(C)C)CC1)[C@@H]2N
InChIInChI=1S/C15H25N3S/c1-10-17-12-11(19-10)9-15(13(12)16)5-7-18(8-6-15)14(2,3)4/h13H,5-9,16H2,1-4H3/t13-/m1/s1
InChIKeyLWJWADYPWOYGHS-CYBMUJFWSA-N
MW279.45 g/mol
LogP2.89
Rot. Bonds

About (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (PubChem CID 158776895) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
PubChem CID158776895
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCc1nc2c(s1)CC1(CCN(C(C)(C)C)CC1)[C@@H]2N
InChIInChI=1S/C15H25N3S/c1-10-17-12-11(19-10)9-15(13(12)16)5-7-18(8-6-15)14(2,3)4/h13H,5-9,16H2,1-4H3/t13-/m1/s1
InChIKeyLWJWADYPWOYGHS-CYBMUJFWSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine with MolForge

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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)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
(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
(R)-(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine
CID 146444933
(2,5-Dimethyl-1,3-thiazol-4-yl)-(1-methylcyclopentyl)methanamine
CID 146444935
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The IUPAC name of (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (CID 158776895) is (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is Cc1nc2c(s1)CC1(CCN(C(C)(C)C)CC1)[C@@H]2N.
What is the InChIKey of (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The InChIKey is LWJWADYPWOYGHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10-17-12-11(19-10)9-15(13(12)16)5-7-18(8-6-15)14(2,3)4/h13H,5-9,16H2,1-4H3/t13-/m1/s1.
What are the key properties of (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine has a molecular weight of 279.45 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 158776895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).