5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine

C14H27N3S — CID 79396156

IUPAC5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C1=NC(=C(S1)CNC)C(C)C)C(C)C
InChIInChI=1S/C14H27N3S/c1-7-8-17(11(4)5)14-16-13(10(2)3)12(18-14)9-15-6/h10-11,15H,7-9H2,1-6H3
InChIKeyTYMUYHLMGNMADB-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.70
Rot. Bonds7

About 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine

5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 79396156) has the molecular formula C14H27N3S and a molecular weight of 269.45 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID79396156
Molecular FormulaC14H27N3S
Molecular Weight269.45 g/mol
Exact Mass269.19
IUPAC Name5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C1=NC(=C(S1)CNC)C(C)C)C(C)C
InChIInChI=1S/C14H27N3S/c1-7-8-17(11(4)5)14-16-13(10(2)3)12(18-14)9-15-6/h10-11,15H,7-9H2,1-6H3
InChIKeyTYMUYHLMGNMADB-UHFFFAOYSA-N
XLogP3.70
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity233

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 2304055
Thiazolo(5,4-c)pyridine-5(4H)-carbothioamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062339
Thiazolo(5,4-c)pyridine-5(4H)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyano-N'-methyl-
CID 3062340
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine dihydrochloride
CID 126796924
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017643
2-Ethylamino-4-methyl-5-isopropylthiazole
CID 126971076
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448
N-cyclopropyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112495
5-(1-aminoethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113714
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

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine (CID 79396156) is 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine is CCCN(C1=NC(=C(S1)CNC)C(C)C)C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is TYMUYHLMGNMADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-8-17(11(4)5)14-16-13(10(2)3)12(18-14)9-15-6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine?
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 269.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79396156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).