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

C15H27N3S — CID 79393368

IUPACN-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC2CC2)C(C)C)nc1C(C)C
InChIInChI=1S/C15H27N3S/c1-10(2)14-13(8-16-5)19-15(17-14)18(11(3)4)9-12-6-7-12/h10-12,16H,6-9H2,1-5H3
InChIKeyXYICSPHQCFGVRB-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.61
Rot. Bonds7

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

N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79393368) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
PubChem CID79393368
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC2CC2)C(C)C)nc1C(C)C
InChIInChI=1S/C15H27N3S/c1-10(2)14-13(8-16-5)19-15(17-14)18(11(3)4)9-12-6-7-12/h10-12,16H,6-9H2,1-5H3
InChIKeyXYICSPHQCFGVRB-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62769296
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395051
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79380668
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
4-cyclopropyl-N-(2-methoxyethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965606

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (CID 79393368) is N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is CNCc1sc(N(CC2CC2)C(C)C)nc1C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XYICSPHQCFGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10(2)14-13(8-16-5)19-15(17-14)18(11(3)4)9-12-6-7-12/h10-12,16H,6-9H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79393368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).