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

C8H11ClN2S — CID 146477616

IUPAC(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC1(C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C8H11ClN2S/c1-8(2)3-4-5(6(8)10)11-7(9)12-4/h6H,3,10H2,1-2H3/t6-/m1/s1
InChIKeyMNFIYZRXZMRJFF-ZCFIWIBFSA-N
MW202.71 g/mol
LogP2.38
Rot. Bonds

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

(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (PubChem CID 146477616) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.

Molecular Properties

Compound Name(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
PubChem CID146477616
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC1(C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C8H11ClN2S/c1-8(2)3-4-5(6(8)10)11-7(9)12-4/h6H,3,10H2,1-2H3/t6-/m1/s1
InChIKeyMNFIYZRXZMRJFF-ZCFIWIBFSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The IUPAC name of (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (CID 146477616) is (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.
What is the SMILES notation for (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The canonical SMILES for (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is CC1(C)Cc2sc(Cl)nc2[C@H]1N.
What is the InChIKey of (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The InChIKey is MNFIYZRXZMRJFF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-8(2)3-4-5(6(8)10)11-7(9)12-4/h6H,3,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine has a molecular weight of 202.71 g/mol, XLogP of 2.38, 0 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-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is sourced from PubChem (CID 146477616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).