5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine

C12H19N3S — CID 63917357

IUPAC5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1CC1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H19N3S/c1-15(7-8-2-3-8)12-14-11(9-4-5-9)10(6-13)16-12/h8-9H,2-7,13H2,1H3
InChIKeyLMCKTIPRHOUYST-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.33
Rot. Bonds5

About 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 63917357) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID63917357
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(CC1CC1)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H19N3S/c1-15(7-8-2-3-8)12-14-11(9-4-5-9)10(6-13)16-12/h8-9H,2-7,13H2,1H3
InChIKeyLMCKTIPRHOUYST-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117229
5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117367
N-methyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117417
5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117892
N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117941
N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766798
N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766967
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766968
5-[(tert-butylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766969
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767314
5-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767315

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine (CID 63917357) is 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine is CN(CC1CC1)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LMCKTIPRHOUYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(7-8-2-3-8)12-14-11(9-4-5-9)10(6-13)16-12/h8-9H,2-7,13H2,1H3.
What are the key properties of 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63917357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).