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

C16H24N4S — CID 61333888

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C16H24N4S/c1-6-13-11(4)21-16(18-13)15(17-12-7-8-12)14-9(2)19-20(5)10(14)3/h12,15,17H,6-8H2,1-5H3
InChIKeyNVBZIDRZFOBDLP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.21
Rot. Bonds5

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

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 61333888) 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)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID61333888
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C16H24N4S/c1-6-13-11(4)21-16(18-13)15(17-12-7-8-12)14-9(2)19-20(5)10(14)3/h12,15,17H,6-8H2,1-5H3
InChIKeyNVBZIDRZFOBDLP-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 97108451
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 137986916
1-Ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111617363
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 56707302
2-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethyl-1,3-thiazole
CID 117997124
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 159083959
Ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine
CID 176693410
(1-Methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole
CID 178033949
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204562
1-(1,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43435502
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547142
(5-Methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43558937

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 61333888) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is CCc1nc(C(NC2CC2)c2c(C)nn(C)c2C)sc1C.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is NVBZIDRZFOBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-6-13-11(4)21-16(18-13)15(17-12-7-8-12)14-9(2)19-20(5)10(14)3/h12,15,17H,6-8H2,1-5H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 304.46 g/mol, XLogP of 3.21, 5 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)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61333888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).