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

C12H18N6OS — CID 116671009

IUPAC4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6-8(7(2)18(4)17-6)5-15-11(19)9-10(13)16-12(14-3)20-9/h5,13H2,1-4H3,(H,14,16)(H,15,19)
InChIKeyQRBPXRMYVLJWIU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.05
Rot. Bonds4

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

4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671009) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671009
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6-8(7(2)18(4)17-6)5-15-11(19)9-10(13)16-12(14-3)20-9/h5,13H2,1-4H3,(H,14,16)(H,15,19)
InChIKeyQRBPXRMYVLJWIU-UHFFFAOYSA-N
XLogP1.05
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671010
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 79225452
2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71700812
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 110446006

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116671009) is 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCc2c(C)nn(C)c2C)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QRBPXRMYVLJWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-6-8(7(2)18(4)17-6)5-15-11(19)9-10(13)16-12(14-3)20-9/h5,13H2,1-4H3,(H,14,16)(H,15,19).
What are the key properties of 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).