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

C14H20N4S — CID 97178740

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCc2csc(C3CC3)n2)cn1
InChIInChI=1S/C14H20N4S/c1-2-5-18-9-11(7-16-18)6-15-8-13-10-19-14(17-13)12-3-4-12/h7,9-10,12,15H,2-6,8H2,1H3
InChIKeyXJGJWCFEUBMZRL-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.92
Rot. Bonds7

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 97178740) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID97178740
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(CNCc2csc(C3CC3)n2)cn1
InChIInChI=1S/C14H20N4S/c1-2-5-18-9-11(7-16-18)6-15-8-13-10-19-14(17-13)12-3-4-12/h7,9-10,12,15H,2-6,8H2,1H3
InChIKeyXJGJWCFEUBMZRL-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 91938268
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 131924986
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine (CID 97178740) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(CNCc2csc(C3CC3)n2)cn1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is XJGJWCFEUBMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-5-18-9-11(7-16-18)6-15-8-13-10-19-14(17-13)12-3-4-12/h7,9-10,12,15H,2-6,8H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 97178740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).