4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H19N5OS2 — CID 116664669

IUPAC4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2sc(NC(C)C)nc2N)cs1
InChIInChI=1S/C13H19N5OS2/c1-7(2)15-13-17-11(14)10(21-13)12(19)18(4)5-9-6-20-8(3)16-9/h6-7H,5,14H2,1-4H3,(H,15,17)
InChIKeyJFIKIZCKXDVDQN-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.58
Rot. Bonds5

About 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664669) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664669
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2sc(NC(C)C)nc2N)cs1
InChIInChI=1S/C13H19N5OS2/c1-7(2)15-13-17-11(14)10(21-13)12(19)18(4)5-9-6-20-8(3)16-9/h6-7H,5,14H2,1-4H3,(H,15,17)
InChIKeyJFIKIZCKXDVDQN-UHFFFAOYSA-N
XLogP2.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663998
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106044271
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116671321
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116664669) is 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2sc(NC(C)C)nc2N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JFIKIZCKXDVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-7(2)15-13-17-11(14)10(21-13)12(19)18(4)5-9-6-20-8(3)16-9/h6-7H,5,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).