N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C13H18N4S — CID 62543539

IUPACN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1-c1csc(CNC2CC2)n1
InChIInChI=1S/C13H18N4S/c1-8-13(9(2)17(3)16-8)11-7-18-12(15-11)6-14-10-4-5-10/h7,10,14H,4-6H2,1-3H3
InChIKeyAPTQAGNXHFFKJQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.41
Rot. Bonds4

About N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62543539) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62543539
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1-c1csc(CNC2CC2)n1
InChIInChI=1S/C13H18N4S/c1-8-13(9(2)17(3)16-8)11-7-18-12(15-11)6-14-10-4-5-10/h7,10,14H,4-6H2,1-3H3
InChIKeyAPTQAGNXHFFKJQ-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544348
N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 104653522
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62440800
N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 116965296
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63218474
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62453588
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115703292

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62543539) is N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is Cc1nn(C)c(C)c1-c1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is APTQAGNXHFFKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-13(9(2)17(3)16-8)11-7-18-12(15-11)6-14-10-4-5-10/h7,10,14H,4-6H2,1-3H3.
What are the key properties of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 262.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62543539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).