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

C11H17ClN2S — CID 146510875

IUPAC(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCCC1(C(C)C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C11H17ClN2S/c1-4-11(6(2)3)5-7-8(9(11)13)14-10(12)15-7/h6,9H,4-5,13H2,1-3H3/t9-,11?/m1/s1
InChIKeyJQZADENEOWETHR-BFHBGLAWSA-N
MW244.79 g/mol
LogP3.40
Rot. Bonds2

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

(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (PubChem CID 146510875) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.

Molecular Properties

Compound Name(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
PubChem CID146510875
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
SMILESCCC1(C(C)C)Cc2sc(Cl)nc2[C@H]1N
InChIInChI=1S/C11H17ClN2S/c1-4-11(6(2)3)5-7-8(9(11)13)14-10(12)15-7/h6,9H,4-5,13H2,1-3H3/t9-,11?/m1/s1
InChIKeyJQZADENEOWETHR-BFHBGLAWSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.40
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-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The IUPAC name of (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine (CID 146510875) is (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine.
What is the SMILES notation for (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The canonical SMILES for (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is CCC1(C(C)C)Cc2sc(Cl)nc2[C@H]1N.
What is the InChIKey of (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
The InChIKey is JQZADENEOWETHR-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-4-11(6(2)3)5-7-8(9(11)13)14-10(12)15-7/h6,9H,4-5,13H2,1-3H3/t9-,11?/m1/s1.
What are the key properties of (4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine?
(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine has a molecular weight of 244.79 g/mol, XLogP of 3.40, 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-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine is sourced from PubChem (CID 146510875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).