N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C14H22N4S — CID 77096062

IUPACN-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCCn1ncc(CN(C)Cc2csc(C)n2)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-18-11(2)13(7-15-18)8-17(4)9-14-10-19-12(3)16-14/h7,10H,5-6,8-9H2,1-4H3
InChIKeyRYTFDWDVDVCHSZ-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.00
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 77096062) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID77096062
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCCn1ncc(CN(C)Cc2csc(C)n2)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-18-11(2)13(7-15-18)8-17(4)9-14-10-19-12(3)16-14/h7,10H,5-6,8-9H2,1-4H3
InChIKeyRYTFDWDVDVCHSZ-UHFFFAOYSA-N
XLogP3.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 77096062) is N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CCCn1ncc(CN(C)Cc2csc(C)n2)c1C.
What is the InChIKey of N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is RYTFDWDVDVCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-6-18-11(2)13(7-15-18)8-17(4)9-14-10-19-12(3)16-14/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 278.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 77096062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).