trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine

C14H25N3S — CID 97158615

IUPACtrans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
SMILESCC(C)c1nc(CN[C@H]2CC[C@H](N(C)C)C2)cs1
InChIInChI=1S/C14H25N3S/c1-10(2)14-16-12(9-18-14)8-15-11-5-6-13(7-11)17(3)4/h9-11,13,15H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyOCTSAYSBJBBMOO-AAEUAGOBSA-N
MW267.44 g/mol
LogP2.84
Rot. Bonds5

About trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine (PubChem CID 97158615) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
PubChem CID97158615
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Nametrans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
SMILESCC(C)c1nc(CN[C@H]2CC[C@H](N(C)C)C2)cs1
InChIInChI=1S/C14H25N3S/c1-10(2)14-16-12(9-18-14)8-15-11-5-6-13(7-11)17(3)4/h9-11,13,15H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyOCTSAYSBJBBMOO-AAEUAGOBSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine (CID 97158615) is trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine is CC(C)c1nc(CN[C@H]2CC[C@H](N(C)C)C2)cs1.
What is the InChIKey of trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine?
The InChIKey is OCTSAYSBJBBMOO-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)14-16-12(9-18-14)8-15-11-5-6-13(7-11)17(3)4/h9-11,13,15H,5-8H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 97158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).