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

C15H24N4S — CID 103572508

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(C(NC(C)C)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H24N4S/c1-6-7-19-9-13(8-16-19)14(17-10(2)3)15-18-11(4)12(5)20-15/h8-10,14,17H,6-7H2,1-5H3
InChIKeyRXPMZJAMMAMSAF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.45
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 103572508) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID103572508
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(C(NC(C)C)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H24N4S/c1-6-7-19-9-13(8-16-19)14(17-10(2)3)15-18-11(4)12(5)20-15/h8-10,14,17H,6-7H2,1-5H3
InChIKeyRXPMZJAMMAMSAF-UHFFFAOYSA-N
XLogP3.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
CID 103572514
N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103570199
N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 79713275
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62544757
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104037
N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807394
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
4-butan-2-yl-1-propylpyrazole
CID 130194925
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 103572490

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine (CID 103572508) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine is CCCn1cc(C(NC(C)C)c2nc(C)c(C)s2)cn1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is RXPMZJAMMAMSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-7-19-9-13(8-16-19)14(17-10(2)3)15-18-11(4)12(5)20-15/h8-10,14,17H,6-7H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 103572508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).