4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 116663853

IUPAC4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2sc(NC3CC3)nc2N)o1
InChIInChI=1S/C14H18N4O2S/c1-7-3-6-10(20-7)8(2)16-13(19)11-12(15)18-14(21-11)17-9-4-5-9/h3,6,8-9H,4-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPIUKNRSBXDHRDM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116663853) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116663853
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2sc(NC3CC3)nc2N)o1
InChIInChI=1S/C14H18N4O2S/c1-7-3-6-10(20-7)8(2)16-13(19)11-12(15)18-14(21-11)17-9-4-5-9/h3,6,8-9H,4-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPIUKNRSBXDHRDM-UHFFFAOYSA-N
XLogP2.69
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116663853) is 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(C(C)NC(=O)c2sc(NC3CC3)nc2N)o1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PIUKNRSBXDHRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-7-3-6-10(20-7)8(2)16-13(19)11-12(15)18-14(21-11)17-9-4-5-9/h3,6,8-9H,4-5,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).