N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C10H18N4O3S — CID 80615044

IUPACN,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C10H18N4O3S/c1-2-3-11-10-13-12-8(18-10)9(17)14(4-6-15)5-7-16/h15-16H,2-7H2,1H3,(H,11,13)
InChIKeyJZNZOAYEKMYTTH-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.21
Rot. Bonds8

About N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615044) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615044
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CCO)CCO)s1
InChIInChI=1S/C10H18N4O3S/c1-2-3-11-10-13-12-8(18-10)9(17)14(4-6-15)5-7-16/h15-16H,2-7H2,1H3,(H,11,13)
InChIKeyJZNZOAYEKMYTTH-UHFFFAOYSA-N
XLogP-0.21
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615044) is N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CCO)CCO)s1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JZNZOAYEKMYTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-2-3-11-10-13-12-8(18-10)9(17)14(4-6-15)5-7-16/h15-16H,2-7H2,1H3,(H,11,13).
What are the key properties of N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).