N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine

C16H26N2S2 — CID 79946535

IUPACN-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine
SMILESCC(C)c1csc(C2(NC3CC3)CSCC(C)(C)C2)n1
InChIInChI=1S/C16H26N2S2/c1-11(2)13-7-20-14(17-13)16(18-12-5-6-12)8-15(3,4)9-19-10-16/h7,11-12,18H,5-6,8-10H2,1-4H3
InChIKeyFVMLWFQQHJQDJL-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.38
Rot. Bonds4

About N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine

N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine (PubChem CID 79946535) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine
PubChem CID79946535
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC NameN-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine
SMILESCC(C)c1csc(C2(NC3CC3)CSCC(C)(C)C2)n1
InChIInChI=1S/C16H26N2S2/c1-11(2)13-7-20-14(17-13)16(18-12-5-6-12)8-15(3,4)9-19-10-16/h7,11-12,18H,5-6,8-10H2,1-4H3
InChIKeyFVMLWFQQHJQDJL-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine?
The IUPAC name of N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine (CID 79946535) is N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine.
What is the SMILES notation for N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine?
The canonical SMILES for N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine is CC(C)c1csc(C2(NC3CC3)CSCC(C)(C)C2)n1.
What is the InChIKey of N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine?
The InChIKey is FVMLWFQQHJQDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-11(2)13-7-20-14(17-13)16(18-12-5-6-12)8-15(3,4)9-19-10-16/h7,11-12,18H,5-6,8-10H2,1-4H3.
What are the key properties of N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine?
N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine has a molecular weight of 310.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine is sourced from PubChem (CID 79946535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).