(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine

C12H19ClN2S — CID 155091654

IUPAC(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC(C)C1(C(C)C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C12H19ClN2S/c1-6(2)12(7(3)4)5-8-9(10(12)14)15-11(13)16-8/h6-7,10H,5,14H2,1-4H3/t10-/m1/s1
InChIKeyOTSLJMCPCRCCQP-SNVBAGLBSA-N
MW258.82 g/mol
LogP3.65
Rot. Bonds2

About (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine

(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (PubChem CID 155091654) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.

Molecular Properties

Compound Name(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
PubChem CID155091654
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC(C)C1(C(C)C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C12H19ClN2S/c1-6(2)12(7(3)4)5-8-9(10(12)14)15-11(13)16-8/h6-7,10H,5,14H2,1-4H3/t10-/m1/s1
InChIKeyOTSLJMCPCRCCQP-SNVBAGLBSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-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
(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
2-Chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 153548773
(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
CID 155035612
(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 155089457
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
CID 155124701
2-Methyl-5-pentyl-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine
CID 155179986
5-Butyl-2-chloro-5-propyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 155180037

Frequently Asked Questions

What is the IUPAC name of (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The IUPAC name of (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (CID 155091654) is (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.
What is the SMILES notation for (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The canonical SMILES for (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is CC(C)C1(C(C)C)Cc2sc(Cl)nc2[C@H]1N.
What is the InChIKey of (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The InChIKey is OTSLJMCPCRCCQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-6(2)12(7(3)4)5-8-9(10(12)14)15-11(13)16-8/h6-7,10H,5,14H2,1-4H3/t10-/m1/s1.
What are the key properties of (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
(4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine has a molecular weight of 258.82 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chloro-5,5-di(propan-2-yl)-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is sourced from PubChem (CID 155091654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).