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

C12H18N4S — CID 75505664

IUPAC5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N4S/c1-5-10-6-13-12(17-10)14-7-11-8(2)15-16(4)9(11)3/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyMAGWZMHQRXHHFU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.67
Rot. Bonds4

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

5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 75505664) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID75505664
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N4S/c1-5-10-6-13-12(17-10)14-7-11-8(2)15-16(4)9(11)3/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyMAGWZMHQRXHHFU-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599766
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28618675
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 75505664) is 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is CCc1cnc(NCc2c(C)nn(C)c2C)s1.
What is the InChIKey of 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MAGWZMHQRXHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-10-6-13-12(17-10)14-7-11-8(2)15-16(4)9(11)3/h6H,5,7H2,1-4H3,(H,13,14).
What are the key properties of 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 75505664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).