4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

C14H18N4O3S — CID 52905863

IUPAC4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2snc(C(=O)NC(C)C)c2N)o1
InChIInChI=1S/C14H18N4O3S/c1-7(2)17-13(19)11-10(15)12(22-18-11)14(20)16-6-9-5-4-8(3)21-9/h4-5,7H,6,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyAJWKFCOGSJFQDY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.69
Rot. Bonds5

About 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 52905863) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
PubChem CID52905863
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2snc(C(=O)NC(C)C)c2N)o1
InChIInChI=1S/C14H18N4O3S/c1-7(2)17-13(19)11-10(15)12(22-18-11)14(20)16-6-9-5-4-8(3)21-9/h4-5,7H,6,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyAJWKFCOGSJFQDY-UHFFFAOYSA-N
XLogP1.69
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395371
4-amino-5-N-[(3,5-difluorophenyl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
CID 53134294
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53134287
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
4-amino-2-(diethylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665473
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (CID 52905863) is 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is Cc1ccc(CNC(=O)c2snc(C(=O)NC(C)C)c2N)o1.
What is the InChIKey of 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is AJWKFCOGSJFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-7(2)17-13(19)11-10(15)12(22-18-11)14(20)16-6-9-5-4-8(3)21-9/h4-5,7H,6,15H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 52905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).