4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C13H20N6OS — CID 116671010

IUPAC4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H20N6OS/c1-5-15-13-17-11(14)10(21-13)12(20)16-6-9-7(2)18-19(4)8(9)3/h5-6,14H2,1-4H3,(H,15,17)(H,16,20)
InChIKeyVSQCMAVBYUCVRK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671010) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671010
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H20N6OS/c1-5-15-13-17-11(14)10(21-13)12(20)16-6-9-7(2)18-19(4)8(9)3/h5-6,14H2,1-4H3,(H,15,17)(H,16,20)
InChIKeyVSQCMAVBYUCVRK-UHFFFAOYSA-N
XLogP1.44
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671009
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-amino-2-(ethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)-1,3-thiazole-5-carboxamide
CID 106150418
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
CID 106258906
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116671010) is 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VSQCMAVBYUCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-5-15-13-17-11(14)10(21-13)12(20)16-6-9-7(2)18-19(4)8(9)3/h5-6,14H2,1-4H3,(H,15,17)(H,16,20).
What are the key properties of 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).