N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C12H18N4S — CID 82877070

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccn(C)n1)Cc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-9-8-17-12(14-9)7-11(13-2)6-10-4-5-16(3)15-10/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyOCRCCMWXVWTSKR-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 82877070) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID82877070
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccn(C)n1)Cc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-9-8-17-12(14-9)7-11(13-2)6-10-4-5-16(3)15-10/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyOCRCCMWXVWTSKR-UHFFFAOYSA-N
XLogP1.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025395
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106105461
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 82877070) is N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1ccn(C)n1)Cc1nc(C)cs1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is OCRCCMWXVWTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-8-17-12(14-9)7-11(13-2)6-10-4-5-16(3)15-10/h4-5,8,11,13H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 82877070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).