2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate

C9H15N5O3S — CID 116672210

IUPAC2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
SMILESCN(C)c1nc(N)c(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C9H15N5O3S/c1-14(2)9-13-6(10)5(18-9)7(15)12-3-4-17-8(11)16/h3-4,10H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyAGTFTQJEVSYOPI-UHFFFAOYSA-N
MW273.32 g/mol
LogP-0.38
Rot. Bonds5

About 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate

2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate (PubChem CID 116672210) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
PubChem CID116672210
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
SMILESCN(C)c1nc(N)c(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C9H15N5O3S/c1-14(2)9-13-6(10)5(18-9)7(15)12-3-4-17-8(11)16/h3-4,10H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyAGTFTQJEVSYOPI-UHFFFAOYSA-N
XLogP-0.38
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate (CID 116672210) is 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate is CN(C)c1nc(N)c(C(=O)NCCOC(N)=O)s1.
What is the InChIKey of 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The InChIKey is AGTFTQJEVSYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-14(2)9-13-6(10)5(18-9)7(15)12-3-4-17-8(11)16/h3-4,10H2,1-2H3,(H2,11,16)(H,12,15).
What are the key properties of 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate has a molecular weight of 273.32 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 116672210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).