N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C12H23N5OS — CID 103191126

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)C(C)CN(C)C)s1
InChIInChI=1S/C12H23N5OS/c1-6-13-12-15-14-10(19-12)11(18)17(7-2)9(3)8-16(4)5/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyAJDIDQOOMPFUTP-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.38
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 103191126) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID103191126
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)C(C)CN(C)C)s1
InChIInChI=1S/C12H23N5OS/c1-6-13-12-15-14-10(19-12)11(18)17(7-2)9(3)8-16(4)5/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyAJDIDQOOMPFUTP-UHFFFAOYSA-N
XLogP1.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81073773
N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616794
5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80617445
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 103191078
5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 114953077
N-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616833

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 103191126) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CC)C(C)CN(C)C)s1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AJDIDQOOMPFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-6-13-12-15-14-10(19-12)11(18)17(7-2)9(3)8-16(4)5/h9H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 103191126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).