5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine

C11H19N3S — CID 178197632

IUPAC5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C11H19N3S/c1-6-8(7-9(12)11(7,2)3)15-10(13-6)14(4)5/h7,9H,12H2,1-5H3/t7-,9-/m0/s1
InChIKeyHTKPVOAWDSEGMS-CBAPKCEASA-N
MW225.36 g/mol
LogP1.97
Rot. Bonds2

About 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine

5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine (PubChem CID 178197632) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
PubChem CID178197632
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C11H19N3S/c1-6-8(7-9(12)11(7,2)3)15-10(13-6)14(4)5/h7,9H,12H2,1-5H3/t7-,9-/m0/s1
InChIKeyHTKPVOAWDSEGMS-CBAPKCEASA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine (CID 178197632) is 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1[C@H]1[C@H](N)C1(C)C.
What is the InChIKey of 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The InChIKey is HTKPVOAWDSEGMS-CBAPKCEASA-N. The full InChI is InChI=1S/C11H19N3S/c1-6-8(7-9(12)11(7,2)3)15-10(13-6)14(4)5/h7,9H,12H2,1-5H3/t7-,9-/m0/s1.
What are the key properties of 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3S)-3-amino-2,2-dimethylcyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 178197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).