N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine

C12H21N3S — CID 79395051

IUPACN-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C2CC2)nc1C(C)C
InChIInChI=1S/C12H21N3S/c1-8(2)11-10(7-13-3)16-12(14-11)15(4)9-5-6-9/h8-9,13H,5-7H2,1-4H3
InChIKeyQOUCZVLEPSGIAU-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.58
Rot. Bonds5

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

N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79395051) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79395051
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C2CC2)nc1C(C)C
InChIInChI=1S/C12H21N3S/c1-8(2)11-10(7-13-3)16-12(14-11)15(4)9-5-6-9/h8-9,13H,5-7H2,1-4H3
InChIKeyQOUCZVLEPSGIAU-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79393368
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396354
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 79395051) is N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine is CNCc1sc(N(C)C2CC2)nc1C(C)C.
What is the InChIKey of N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is QOUCZVLEPSGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)11-10(7-13-3)16-12(14-11)15(4)9-5-6-9/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79395051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).