2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C13H19N3O5S — CID 69449815

IUPAC2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)N(CCO)CCO)sc2c1CCOC2
InChIInChI=1S/C13H19N3O5S/c14-11(19)10-8-1-6-21-7-9(8)22-12(10)15-13(20)16(2-4-17)3-5-18/h17-18H,1-7H2,(H2,14,19)(H,15,20)
InChIKeyHAUIKVBCEHZWRE-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.26
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69449815) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69449815
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)N(CCO)CCO)sc2c1CCOC2
InChIInChI=1S/C13H19N3O5S/c14-11(19)10-8-1-6-21-7-9(8)22-12(10)15-13(20)16(2-4-17)3-5-18/h17-18H,1-7H2,(H2,14,19)(H,15,20)
InChIKeyHAUIKVBCEHZWRE-UHFFFAOYSA-N
XLogP-0.26
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449404
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69446712
N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
CID 69447732
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
2-[[4-(trifluoromethyl)phenyl]methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 172747793

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69449815) is 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NC(=O)c1c(NC(=O)N(CCO)CCO)sc2c1CCOC2.
What is the InChIKey of 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is HAUIKVBCEHZWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c14-11(19)10-8-1-6-21-7-9(8)22-12(10)15-13(20)16(2-4-17)3-5-18/h17-18H,1-7H2,(H2,14,19)(H,15,20).
What are the key properties of 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69449815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).