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

C10H15ClN2S — CID 146477444

IUPAC(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC(C)C1(C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C10H15ClN2S/c1-5(2)10(3)4-6-7(8(10)12)13-9(11)14-6/h5,8H,4,12H2,1-3H3/t8-,10?/m1/s1
InChIKeyYBCKUAZNALQFTF-HNHGDDPOSA-N
MW230.76 g/mol
LogP3.01
Rot. Bonds1

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

(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (PubChem CID 146477444) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.

Molecular Properties

Compound Name(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
PubChem CID146477444
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCC(C)C1(C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C10H15ClN2S/c1-5(2)10(3)4-6-7(8(10)12)13-9(11)14-6/h5,8H,4,12H2,1-3H3/t8-,10?/m1/s1
InChIKeyYBCKUAZNALQFTF-HNHGDDPOSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.01
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-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The IUPAC name of (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (CID 146477444) is (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.
What is the SMILES notation for (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The canonical SMILES for (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is CC(C)C1(C)Cc2sc(Cl)nc2[C@H]1N.
What is the InChIKey of (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The InChIKey is YBCKUAZNALQFTF-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-5(2)10(3)4-6-7(8(10)12)13-9(11)14-6/h5,8H,4,12H2,1-3H3/t8-,10?/m1/s1.
What are the key properties of (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine has a molecular weight of 230.76 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is sourced from PubChem (CID 146477444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).