3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide

C12H15N5OS2 — CID 103379718

IUPAC3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1cscn1)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H15N5OS2/c1-17(4-8-5-19-6-14-8)12-9(10(13)16-20-12)11(18)15-7-2-3-7/h5-7H,2-4H2,1H3,(H2,13,16)(H,15,18)
InChIKeyZXSZOEUAXDNTMB-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379718) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379718
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCN(Cc1cscn1)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H15N5OS2/c1-17(4-8-5-19-6-14-8)12-9(10(13)16-20-12)11(18)15-7-2-3-7/h5-7H,2-4H2,1H3,(H2,13,16)(H,15,18)
InChIKeyZXSZOEUAXDNTMB-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379722
3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 114231035
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
4-amino-N-cyclopropyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanamide
CID 66431207
3-amino-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380199
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380339
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379718) is 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide is CN(Cc1cscn1)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is ZXSZOEUAXDNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-17(4-8-5-19-6-14-8)12-9(10(13)16-20-12)11(18)15-7-2-3-7/h5-7H,2-4H2,1H3,(H2,13,16)(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).