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

C16H24N4S — CID 103572514

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCn1cc(C(NC2CC2)c2nc(CC)c(C)s2)cn1
InChIInChI=1S/C16H24N4S/c1-4-8-20-10-12(9-17-20)15(18-13-6-7-13)16-19-14(5-2)11(3)21-16/h9-10,13,15,18H,4-8H2,1-3H3
InChIKeyDODWTAGELZWIRU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.46
Rot. Bonds7

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

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 103572514) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID103572514
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCn1cc(C(NC2CC2)c2nc(CC)c(C)s2)cn1
InChIInChI=1S/C16H24N4S/c1-4-8-20-10-12(9-17-20)15(18-13-6-7-13)16-19-14(5-2)11(3)21-16/h9-10,13,15,18H,4-8H2,1-3H3
InChIKeyDODWTAGELZWIRU-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 103572508
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66133913
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 61333888
N-[(1-ethylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 103570211
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 61333083
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66141042
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
CID 116504483
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine (CID 103572514) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine is CCCn1cc(C(NC2CC2)c2nc(CC)c(C)s2)cn1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is DODWTAGELZWIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-8-20-10-12(9-17-20)15(18-13-6-7-13)16-19-14(5-2)11(3)21-16/h9-10,13,15,18H,4-8H2,1-3H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 304.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 103572514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).